ChemDB: Chemical Search
Download
Chemical ID: 4617831
Chemical ID:
4617831
Name [?]:
N-[(2,4-dihydroxyphenyl)methyleneaminocarbamoylmethyl]-2,2-diphenyl-acetamide
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)C(=O)NCC(=O)NN=Cc3ccc(cc3O)O
InChi [?]:
InChI=1/C23H21N3O4/c27-19-12-11-18(20(28)13-19)14-25-26-21(29)15-24-23(30)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,22,27-28H,15H2,(H,24,30)(H,26,29)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,3,5,9,13,24,25,27,22,17,4,8,23,26,28,18,7,14,16,21,20,30,29,19,15/E:(1,2)(3,4,5,6)(7,8,9,10)(16,17)/rA:30nCCCCCCCCCCCCCCONCCONNCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;d18;s18;s20;w21;s22;s23;d24;s25;d26;d23s27;s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21N3O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.85093 |
Area: | 649.992 |
Solvation: | -6.39888 |
Coulombic: | -73.1934 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 403.431 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 3.83 |
LogP (Chemaxon): | 3.49 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|